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CHEBI:84701 - N-[(13Z)-docosenoyl]sphingosine

ChEBI IDCHEBI:84701
ChEBI NameN-[(13Z)-docosenoyl]sphingosine
Stars
ASCII NameN-[(13Z)-docosenoyl]sphingosine
DefinitionA N-acylsphingosine in which the acyl group specified is (13Z)-docosenoyl.
Last Modified6 May 2020
Submitternamrata
DownloadsMolfile
FormulaC40H77NO3
Net Charge0
Average Mass620.060
Monoisotopic Mass619.59035
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1
InChIKeyYHMJTZZWEXBHQK-MUDOESHNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-[(13Z)-docosenoyl]sphingosine (CHEBI:84701) has role mouse metabolite (CHEBI:75771)
N-[(13Z)-docosenoyl]sphingosine (CHEBI:84701) is a N-acylsphingosine (CHEBI:52639)
IUPAC Name 
(13Z)-N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]docos-13-enamide
Synonym  Source
Cer(d18:1/22:1(13Z))HMDB
UniProt Name  Source
N-(13Z-docosenoyl)-sphing-4-enineUniProt
Manual XrefsDatabases
HMDB0011775HMDB